2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide

C15H25NO4S — CID 106331622

IUPAC2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1ccc(OC)cc1CCO
InChIInChI=1S/C15H25NO4S/c1-5-15(3,6-2)16-21(18,19)14-8-7-13(20-4)11-12(14)9-10-17/h7-8,11,16-17H,5-6,9-10H2,1-4H3
InChIKeyBXTIYLMFDVVAAL-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.09
Rot. Bonds8

About 2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide

2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106331622) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
PubChem CID106331622
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1ccc(OC)cc1CCO
InChIInChI=1S/C15H25NO4S/c1-5-15(3,6-2)16-21(18,19)14-8-7-13(20-4)11-12(14)9-10-17/h7-8,11,16-17H,5-6,9-10H2,1-4H3
InChIKeyBXTIYLMFDVVAAL-UHFFFAOYSA-N
XLogP2.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 64556227
2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzenesulfonamide
CID 62524804
2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol
CID 114413752
N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 61133016
N-(1-bromo-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 114293806
N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 43501926
2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-5-methoxyphenol
CID 64549738
methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate
CID 154760397
4-methoxy-2-[2-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030118
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
2-(hydroxymethyl)-4-methoxybenzenesulfonamide
CID 67168933
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide
CID 64557804

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide (CID 106331622) is 2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide is CCC(C)(CC)NS(=O)(=O)c1ccc(OC)cc1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is BXTIYLMFDVVAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-5-15(3,6-2)16-21(18,19)14-8-7-13(20-4)11-12(14)9-10-17/h7-8,11,16-17H,5-6,9-10H2,1-4H3.
What are the key properties of 2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide?
2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106331622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).